USER MOD reduce.3.24.130724 H: found=0, std=0, add=638, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 637 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 ASN : amide:sc= -5.23! C(o=-12!,f=-19!) USER MOD Set 1.2: A 60 TYR OH : rot 103:sc= -6.33! USER MOD Set 2.1: A 50 SER OG : rot 180:sc= 0.0129 USER MOD Set 2.2: A 54 ASN : amide:sc= -10.7! K(o=-11!,f=-5.3) USER MOD Set 3.1: A 8 TYR OH : rot 34:sc= -2.71! USER MOD Set 3.2: A 40 TYR OH : rot 180:sc= 0.486 USER MOD Set 3.3: A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 14 GLN : amide:sc= -7.47! C(o=-8.1!,f=-8.5!) USER MOD Set 4.2: A 37 TYR OH : rot -94:sc= -0.638! USER MOD Single : A 6 TYR OH : rot -117:sc= 0.126 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.157 X(o=-0.16,f=0) USER MOD Single : A 17 SER OG : rot 87:sc= 0.519 USER MOD Single : A 18 SER OG : rot -39:sc= 0.126 USER MOD Single : A 20 GLN : amide:sc= -0.264 K(o=-0.26,f=-1.8) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc=0.000673 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot -92:sc= -1.04! USER MOD Single : A 32 HIS : no HD1:sc= -6.27! C(o=-6.3!,f=-3.9!) USER MOD Single : A 34 THR OG1 : rot -88:sc= -0.343 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -0.104 X(o=-0.1,f=0.018) USER MOD Single : A 39 TYR OH : rot 102:sc= 0.195 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0281 USER MOD Single : A 48 GLN : amide:sc= 0.0837 X(o=0.084,f=-0.25) USER MOD Single : A 49 ASN : amide:sc= -0.455 X(o=-0.45,f=-0.22) USER MOD Single : A 53 HIS : no HD1:sc= -1.24 X(o=-1.2,f=-1.1) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 145:sc= -0.353 (180deg=-1.91!) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.097) USER MOD ----------------------------------------------------------------- ATOM 79 N TYR A 6 8.016 3.989 -13.089 1.00 0.00 N ATOM 80 CA TYR A 6 6.788 3.763 -12.283 1.00 0.00 C ATOM 81 C TYR A 6 6.301 5.091 -11.713 1.00 0.00 C ATOM 82 O TYR A 6 6.957 6.108 -11.821 1.00 0.00 O ATOM 83 CB TYR A 6 7.113 2.803 -11.141 1.00 0.00 C ATOM 84 CG TYR A 6 8.016 1.715 -11.661 1.00 0.00 C ATOM 85 CD1 TYR A 6 7.726 1.092 -12.881 1.00 0.00 C ATOM 86 CD2 TYR A 6 9.142 1.331 -10.927 1.00 0.00 C ATOM 87 CE1 TYR A 6 8.564 0.083 -13.367 1.00 0.00 C ATOM 88 CE2 TYR A 6 9.982 0.321 -11.413 1.00 0.00 C ATOM 89 CZ TYR A 6 9.692 -0.304 -12.633 1.00 0.00 C ATOM 90 OH TYR A 6 10.521 -1.300 -13.112 1.00 0.00 O ATOM 0 HA TYR A 6 6.007 3.335 -12.912 1.00 0.00 H new ATOM 0 HB2 TYR A 6 7.599 3.338 -10.325 1.00 0.00 H new ATOM 0 HB3 TYR A 6 6.196 2.372 -10.738 1.00 0.00 H new ATOM 0 HD1 TYR A 6 6.856 1.390 -13.447 1.00 0.00 H new ATOM 0 HD2 TYR A 6 9.364 1.813 -9.986 1.00 0.00 H new ATOM 0 HE1 TYR A 6 8.341 -0.398 -14.308 1.00 0.00 H new ATOM 0 HE2 TYR A 6 10.853 0.024 -10.848 1.00 0.00 H new ATOM 0 HH TYR A 6 10.508 -2.061 -12.495 1.00 0.00 H new ATOM 100 N SER A 7 5.152 5.086 -11.108 1.00 0.00 N ATOM 101 CA SER A 7 4.604 6.338 -10.528 1.00 0.00 C ATOM 102 C SER A 7 3.658 5.968 -9.392 1.00 0.00 C ATOM 103 O SER A 7 3.713 4.879 -8.868 1.00 0.00 O ATOM 104 CB SER A 7 3.842 7.101 -11.610 1.00 0.00 C ATOM 105 OG SER A 7 4.399 8.402 -11.748 1.00 0.00 O ATOM 0 H SER A 7 4.563 4.262 -10.989 1.00 0.00 H new ATOM 0 HA SER A 7 5.409 6.967 -10.149 1.00 0.00 H new ATOM 0 HB2 SER A 7 3.900 6.566 -12.558 1.00 0.00 H new ATOM 0 HB3 SER A 7 2.786 7.171 -11.347 1.00 0.00 H new ATOM 0 HG SER A 7 3.913 8.894 -12.443 1.00 0.00 H new ATOM 111 N TYR A 8 2.791 6.851 -9.001 1.00 0.00 N ATOM 112 CA TYR A 8 1.856 6.508 -7.899 1.00 0.00 C ATOM 113 C TYR A 8 0.486 6.155 -8.481 1.00 0.00 C ATOM 114 O TYR A 8 -0.513 6.783 -8.192 1.00 0.00 O ATOM 115 CB TYR A 8 1.758 7.687 -6.934 1.00 0.00 C ATOM 116 CG TYR A 8 3.065 7.790 -6.181 1.00 0.00 C ATOM 117 CD1 TYR A 8 3.659 6.634 -5.652 1.00 0.00 C ATOM 118 CD2 TYR A 8 3.690 9.031 -6.021 1.00 0.00 C ATOM 119 CE1 TYR A 8 4.875 6.723 -4.965 1.00 0.00 C ATOM 120 CE2 TYR A 8 4.908 9.118 -5.335 1.00 0.00 C ATOM 121 CZ TYR A 8 5.499 7.966 -4.807 1.00 0.00 C ATOM 122 OH TYR A 8 6.700 8.054 -4.131 1.00 0.00 O ATOM 0 H TYR A 8 2.688 7.788 -9.391 1.00 0.00 H new ATOM 0 HA TYR A 8 2.226 5.642 -7.350 1.00 0.00 H new ATOM 0 HB2 TYR A 8 1.560 8.610 -7.480 1.00 0.00 H new ATOM 0 HB3 TYR A 8 0.930 7.543 -6.240 1.00 0.00 H new ATOM 0 HD1 TYR A 8 3.178 5.675 -5.775 1.00 0.00 H new ATOM 0 HD2 TYR A 8 3.234 9.922 -6.426 1.00 0.00 H new ATOM 0 HE1 TYR A 8 5.332 5.833 -4.557 1.00 0.00 H new ATOM 0 HE2 TYR A 8 5.391 10.076 -5.214 1.00 0.00 H new ATOM 0 HH TYR A 8 7.229 7.246 -4.297 1.00 0.00 H new ATOM 132 N ALA A 9 0.444 5.139 -9.303 1.00 0.00 N ATOM 133 CA ALA A 9 -0.842 4.709 -9.923 1.00 0.00 C ATOM 134 C ALA A 9 -0.584 3.464 -10.776 1.00 0.00 C ATOM 135 O ALA A 9 -1.292 2.482 -10.692 1.00 0.00 O ATOM 136 CB ALA A 9 -1.391 5.831 -10.802 1.00 0.00 C ATOM 0 H ALA A 9 1.256 4.584 -9.573 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.571 4.481 -9.145 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.331 5.513 -11.253 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.563 6.719 -10.194 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.672 6.063 -11.587 1.00 0.00 H new ATOM 142 N GLN A 10 0.450 3.492 -11.574 1.00 0.00 N ATOM 143 CA GLN A 10 0.794 2.310 -12.415 1.00 0.00 C ATOM 144 C GLN A 10 1.713 1.429 -11.584 1.00 0.00 C ATOM 145 O GLN A 10 1.666 0.216 -11.640 1.00 0.00 O ATOM 146 CB GLN A 10 1.518 2.769 -13.681 1.00 0.00 C ATOM 147 CG GLN A 10 2.700 3.660 -13.295 1.00 0.00 C ATOM 148 CD GLN A 10 3.587 3.893 -14.518 1.00 0.00 C ATOM 149 OE1 GLN A 10 3.571 4.958 -15.102 1.00 0.00 O ATOM 150 NE2 GLN A 10 4.368 2.933 -14.933 1.00 0.00 N ATOM 0 H GLN A 10 1.076 4.290 -11.680 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.102 1.767 -12.714 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.869 1.905 -14.246 1.00 0.00 H new ATOM 0 HB3 GLN A 10 0.832 3.316 -14.328 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.339 4.613 -12.908 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.277 3.191 -12.498 1.00 0.00 H new ATOM 0 HE21 GLN A 10 4.382 2.039 -14.443 1.00 0.00 H new ATOM 0 HE22 GLN A 10 4.965 3.077 -15.748 1.00 0.00 H new ATOM 159 N LEU A 11 2.526 2.052 -10.779 1.00 0.00 N ATOM 160 CA LEU A 11 3.434 1.292 -9.889 1.00 0.00 C ATOM 161 C LEU A 11 2.568 0.327 -9.087 1.00 0.00 C ATOM 162 O LEU A 11 2.920 -0.810 -8.848 1.00 0.00 O ATOM 163 CB LEU A 11 4.107 2.286 -8.947 1.00 0.00 C ATOM 164 CG LEU A 11 4.843 1.553 -7.833 1.00 0.00 C ATOM 165 CD1 LEU A 11 6.332 1.864 -7.931 1.00 0.00 C ATOM 166 CD2 LEU A 11 4.316 2.044 -6.485 1.00 0.00 C ATOM 0 H LEU A 11 2.598 3.067 -10.702 1.00 0.00 H new ATOM 0 HA LEU A 11 4.195 0.746 -10.447 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.807 2.908 -9.505 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.359 2.953 -8.519 1.00 0.00 H new ATOM 0 HG LEU A 11 4.684 0.479 -7.925 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.866 1.343 -7.136 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.710 1.534 -8.899 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.487 2.938 -7.828 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.837 1.525 -5.680 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.488 3.117 -6.396 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.247 1.841 -6.416 1.00 0.00 H new ATOM 178 N ILE A 12 1.417 0.795 -8.692 1.00 0.00 N ATOM 179 CA ILE A 12 0.468 -0.056 -7.920 1.00 0.00 C ATOM 180 C ILE A 12 -0.020 -1.195 -8.814 1.00 0.00 C ATOM 181 O ILE A 12 -0.025 -2.346 -8.426 1.00 0.00 O ATOM 182 CB ILE A 12 -0.740 0.777 -7.502 1.00 0.00 C ATOM 183 CG1 ILE A 12 -0.303 2.176 -7.040 1.00 0.00 C ATOM 184 CG2 ILE A 12 -1.466 0.072 -6.367 1.00 0.00 C ATOM 185 CD1 ILE A 12 0.797 2.053 -5.983 1.00 0.00 C ATOM 0 H ILE A 12 1.089 1.744 -8.874 1.00 0.00 H new ATOM 0 HA ILE A 12 0.972 -0.451 -7.038 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.404 0.887 -8.359 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.060 2.753 -7.891 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.156 2.716 -6.629 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.330 0.664 -6.065 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.798 -0.911 -6.702 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.791 -0.043 -5.519 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.103 3.048 -5.659 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.419 1.493 -5.128 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.654 1.530 -6.409 1.00 0.00 H new ATOM 197 N VAL A 13 -0.443 -0.876 -10.008 1.00 0.00 N ATOM 198 CA VAL A 13 -0.943 -1.932 -10.931 1.00 0.00 C ATOM 199 C VAL A 13 0.077 -3.065 -10.998 1.00 0.00 C ATOM 200 O VAL A 13 -0.274 -4.227 -11.046 1.00 0.00 O ATOM 201 CB VAL A 13 -1.128 -1.345 -12.328 1.00 0.00 C ATOM 202 CG1 VAL A 13 -1.791 -2.385 -13.227 1.00 0.00 C ATOM 203 CG2 VAL A 13 -2.013 -0.102 -12.247 1.00 0.00 C ATOM 0 H VAL A 13 -0.463 0.072 -10.383 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.897 -2.311 -10.565 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.157 -1.070 -12.740 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.925 -1.970 -14.226 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.160 -3.272 -13.284 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.762 -2.657 -12.814 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.145 0.317 -13.245 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.985 -0.374 -11.836 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.541 0.639 -11.602 1.00 0.00 H new ATOM 213 N GLN A 14 1.337 -2.745 -10.981 1.00 0.00 N ATOM 214 CA GLN A 14 2.363 -3.817 -11.014 1.00 0.00 C ATOM 215 C GLN A 14 2.395 -4.465 -9.633 1.00 0.00 C ATOM 216 O GLN A 14 2.809 -5.595 -9.465 1.00 0.00 O ATOM 217 CB GLN A 14 3.729 -3.216 -11.342 1.00 0.00 C ATOM 218 CG GLN A 14 3.600 -2.303 -12.562 1.00 0.00 C ATOM 219 CD GLN A 14 4.238 -0.949 -12.251 1.00 0.00 C ATOM 220 OE1 GLN A 14 3.802 0.070 -12.747 1.00 0.00 O ATOM 221 NE2 GLN A 14 5.260 -0.897 -11.442 1.00 0.00 N ATOM 0 H GLN A 14 1.699 -1.792 -10.946 1.00 0.00 H new ATOM 0 HA GLN A 14 2.123 -4.557 -11.777 1.00 0.00 H new ATOM 0 HB2 GLN A 14 4.105 -2.651 -10.489 1.00 0.00 H new ATOM 0 HB3 GLN A 14 4.450 -4.009 -11.542 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.088 -2.758 -13.424 1.00 0.00 H new ATOM 0 HG3 GLN A 14 2.550 -2.172 -12.823 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.625 -1.754 -11.026 1.00 0.00 H new ATOM 0 HE22 GLN A 14 5.694 0.000 -11.225 1.00 0.00 H new ATOM 230 N ALA A 15 1.945 -3.744 -8.641 1.00 0.00 N ATOM 231 CA ALA A 15 1.923 -4.287 -7.258 1.00 0.00 C ATOM 232 C ALA A 15 0.875 -5.394 -7.154 1.00 0.00 C ATOM 233 O ALA A 15 1.194 -6.535 -6.890 1.00 0.00 O ATOM 234 CB ALA A 15 1.572 -3.169 -6.274 1.00 0.00 C ATOM 0 H ALA A 15 1.589 -2.793 -8.734 1.00 0.00 H new ATOM 0 HA ALA A 15 2.906 -4.693 -7.018 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.556 -3.568 -5.260 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.319 -2.378 -6.341 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.591 -2.763 -6.519 1.00 0.00 H new ATOM 240 N ILE A 16 -0.380 -5.072 -7.340 1.00 0.00 N ATOM 241 CA ILE A 16 -1.423 -6.133 -7.222 1.00 0.00 C ATOM 242 C ILE A 16 -1.405 -7.050 -8.443 1.00 0.00 C ATOM 243 O ILE A 16 -1.916 -8.152 -8.408 1.00 0.00 O ATOM 244 CB ILE A 16 -2.814 -5.527 -7.092 1.00 0.00 C ATOM 245 CG1 ILE A 16 -2.946 -4.228 -7.885 1.00 0.00 C ATOM 246 CG2 ILE A 16 -3.106 -5.235 -5.627 1.00 0.00 C ATOM 247 CD1 ILE A 16 -2.368 -4.383 -9.284 1.00 0.00 C ATOM 0 H ILE A 16 -0.723 -4.138 -7.564 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.194 -6.708 -6.325 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.526 -6.249 -7.493 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.996 -3.943 -7.951 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.430 -3.424 -7.361 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.102 -4.801 -5.534 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.059 -6.162 -5.055 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.367 -4.533 -5.242 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -2.474 -3.444 -9.828 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -1.312 -4.644 -9.215 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.903 -5.172 -9.813 1.00 0.00 H new ATOM 259 N SER A 17 -0.826 -6.613 -9.519 1.00 0.00 N ATOM 260 CA SER A 17 -0.786 -7.468 -10.737 1.00 0.00 C ATOM 261 C SER A 17 -0.165 -8.812 -10.372 1.00 0.00 C ATOM 262 O SER A 17 -0.305 -9.789 -11.081 1.00 0.00 O ATOM 263 CB SER A 17 0.057 -6.790 -11.816 1.00 0.00 C ATOM 264 OG SER A 17 -0.768 -5.916 -12.576 1.00 0.00 O ATOM 0 H SER A 17 -0.378 -5.701 -9.611 1.00 0.00 H new ATOM 0 HA SER A 17 -1.796 -7.616 -11.118 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.874 -6.232 -11.358 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.508 -7.540 -12.466 1.00 0.00 H new ATOM 0 HG SER A 17 -0.804 -5.039 -12.140 1.00 0.00 H new ATOM 270 N SER A 18 0.519 -8.867 -9.264 1.00 0.00 N ATOM 271 CA SER A 18 1.148 -10.148 -8.842 1.00 0.00 C ATOM 272 C SER A 18 0.403 -10.706 -7.627 1.00 0.00 C ATOM 273 O SER A 18 0.668 -11.802 -7.177 1.00 0.00 O ATOM 274 CB SER A 18 2.613 -9.900 -8.477 1.00 0.00 C ATOM 275 OG SER A 18 3.291 -11.146 -8.383 1.00 0.00 O ATOM 0 H SER A 18 0.669 -8.080 -8.633 1.00 0.00 H new ATOM 0 HA SER A 18 1.095 -10.867 -9.660 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.086 -9.271 -9.231 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.678 -9.365 -7.530 1.00 0.00 H new ATOM 0 HG SER A 18 2.703 -11.808 -7.963 1.00 0.00 H new ATOM 281 N ALA A 19 -0.527 -9.961 -7.090 1.00 0.00 N ATOM 282 CA ALA A 19 -1.280 -10.455 -5.905 1.00 0.00 C ATOM 283 C ALA A 19 -2.080 -11.699 -6.292 1.00 0.00 C ATOM 284 O ALA A 19 -2.217 -12.024 -7.455 1.00 0.00 O ATOM 285 CB ALA A 19 -2.237 -9.364 -5.417 1.00 0.00 C ATOM 0 H ALA A 19 -0.796 -9.034 -7.421 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.580 -10.707 -5.109 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.789 -9.725 -4.549 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.667 -8.477 -5.141 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.938 -9.112 -6.213 1.00 0.00 H new ATOM 291 N GLN A 20 -2.612 -12.397 -5.326 1.00 0.00 N ATOM 292 CA GLN A 20 -3.407 -13.620 -5.638 1.00 0.00 C ATOM 293 C GLN A 20 -4.334 -13.332 -6.822 1.00 0.00 C ATOM 294 O GLN A 20 -3.959 -13.482 -7.968 1.00 0.00 O ATOM 295 CB GLN A 20 -4.243 -14.024 -4.416 1.00 0.00 C ATOM 296 CG GLN A 20 -4.549 -12.794 -3.555 1.00 0.00 C ATOM 297 CD GLN A 20 -3.644 -12.797 -2.321 1.00 0.00 C ATOM 298 OE1 GLN A 20 -2.480 -13.135 -2.408 1.00 0.00 O ATOM 299 NE2 GLN A 20 -4.131 -12.432 -1.166 1.00 0.00 N ATOM 0 H GLN A 20 -2.531 -12.174 -4.334 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.731 -14.436 -5.892 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.173 -14.490 -4.741 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.704 -14.765 -3.826 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -4.391 -11.884 -4.133 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -5.596 -12.801 -3.251 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -5.108 -12.148 -1.091 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -3.535 -12.431 -0.338 1.00 0.00 H new ATOM 308 N ASP A 21 -5.541 -12.915 -6.556 1.00 0.00 N ATOM 309 CA ASP A 21 -6.487 -12.614 -7.667 1.00 0.00 C ATOM 310 C ASP A 21 -6.148 -11.245 -8.261 1.00 0.00 C ATOM 311 O ASP A 21 -5.795 -11.128 -9.417 1.00 0.00 O ATOM 312 CB ASP A 21 -7.918 -12.594 -7.126 1.00 0.00 C ATOM 313 CG ASP A 21 -8.767 -13.605 -7.900 1.00 0.00 C ATOM 314 OD1 ASP A 21 -8.366 -13.972 -8.993 1.00 0.00 O ATOM 315 OD2 ASP A 21 -9.801 -13.998 -7.386 1.00 0.00 O ATOM 0 H ASP A 21 -5.913 -12.770 -5.617 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.401 -13.379 -8.438 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.921 -12.838 -6.064 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.342 -11.595 -7.225 1.00 0.00 H new ATOM 320 N ARG A 22 -6.253 -10.210 -7.475 1.00 0.00 N ATOM 321 CA ARG A 22 -5.937 -8.846 -7.983 1.00 0.00 C ATOM 322 C ARG A 22 -6.152 -7.832 -6.858 1.00 0.00 C ATOM 323 O ARG A 22 -6.551 -6.707 -7.086 1.00 0.00 O ATOM 324 CB ARG A 22 -6.858 -8.510 -9.158 1.00 0.00 C ATOM 325 CG ARG A 22 -6.012 -8.115 -10.370 1.00 0.00 C ATOM 326 CD ARG A 22 -6.055 -9.232 -11.414 1.00 0.00 C ATOM 327 NE ARG A 22 -4.681 -9.779 -11.612 1.00 0.00 N ATOM 328 CZ ARG A 22 -4.207 -9.933 -12.818 1.00 0.00 C ATOM 329 NH1 ARG A 22 -4.419 -11.045 -13.466 1.00 0.00 N ATOM 330 NH2 ARG A 22 -3.519 -8.974 -13.377 1.00 0.00 N ATOM 0 H ARG A 22 -6.545 -10.250 -6.499 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.900 -8.810 -8.318 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.483 -9.369 -9.401 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.528 -7.694 -8.887 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.387 -7.187 -10.801 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -4.983 -7.931 -10.063 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.730 -10.023 -11.088 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.445 -8.849 -12.357 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.112 -10.033 -10.804 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.956 -11.795 -13.030 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.048 -11.165 -14.409 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.352 -8.104 -12.871 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.149 -9.095 -14.320 1.00 0.00 H new ATOM 344 N GLN A 23 -5.892 -8.227 -5.640 1.00 0.00 N ATOM 345 CA GLN A 23 -6.081 -7.296 -4.493 1.00 0.00 C ATOM 346 C GLN A 23 -4.826 -7.302 -3.618 1.00 0.00 C ATOM 347 O GLN A 23 -4.106 -8.279 -3.556 1.00 0.00 O ATOM 348 CB GLN A 23 -7.281 -7.754 -3.660 1.00 0.00 C ATOM 349 CG GLN A 23 -7.079 -9.210 -3.236 1.00 0.00 C ATOM 350 CD GLN A 23 -8.416 -9.805 -2.789 1.00 0.00 C ATOM 351 OE1 GLN A 23 -8.903 -10.749 -3.377 1.00 0.00 O ATOM 352 NE2 GLN A 23 -9.034 -9.287 -1.763 1.00 0.00 N ATOM 0 H GLN A 23 -5.556 -9.157 -5.391 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.258 -6.288 -4.869 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.391 -7.119 -2.781 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.199 -7.657 -4.240 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.672 -9.788 -4.066 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -6.355 -9.265 -2.423 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.625 -8.494 -1.269 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.926 -9.675 -1.455 1.00 0.00 H new ATOM 361 N LEU A 24 -4.556 -6.219 -2.940 1.00 0.00 N ATOM 362 CA LEU A 24 -3.348 -6.167 -2.071 1.00 0.00 C ATOM 363 C LEU A 24 -3.691 -5.482 -0.754 1.00 0.00 C ATOM 364 O LEU A 24 -4.499 -4.576 -0.704 1.00 0.00 O ATOM 365 CB LEU A 24 -2.256 -5.350 -2.757 1.00 0.00 C ATOM 366 CG LEU A 24 -1.319 -6.273 -3.536 1.00 0.00 C ATOM 367 CD1 LEU A 24 -0.183 -5.445 -4.136 1.00 0.00 C ATOM 368 CD2 LEU A 24 -0.736 -7.323 -2.589 1.00 0.00 C ATOM 0 H LEU A 24 -5.120 -5.369 -2.951 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.004 -7.185 -1.890 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.706 -4.622 -3.432 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.690 -4.788 -2.014 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.873 -6.770 -4.333 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.489 -6.098 -4.693 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.597 -4.692 -4.807 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.370 -4.953 -3.336 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.068 -7.982 -3.143 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.179 -6.827 -1.794 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.545 -7.910 -2.154 1.00 0.00 H new ATOM 380 N THR A 25 -3.053 -5.875 0.310 1.00 0.00 N ATOM 381 CA THR A 25 -3.318 -5.209 1.608 1.00 0.00 C ATOM 382 C THR A 25 -2.540 -3.899 1.607 1.00 0.00 C ATOM 383 O THR A 25 -1.653 -3.705 0.799 1.00 0.00 O ATOM 384 CB THR A 25 -2.837 -6.095 2.762 1.00 0.00 C ATOM 385 OG1 THR A 25 -1.422 -6.018 2.854 1.00 0.00 O ATOM 386 CG2 THR A 25 -3.256 -7.544 2.509 1.00 0.00 C ATOM 0 H THR A 25 -2.363 -6.625 0.336 1.00 0.00 H new ATOM 0 HA THR A 25 -4.385 -5.031 1.739 1.00 0.00 H new ATOM 0 HB THR A 25 -3.283 -5.751 3.695 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.111 -6.582 3.592 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.912 -8.171 3.332 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.342 -7.602 2.438 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.813 -7.893 1.577 1.00 0.00 H new ATOM 394 N LEU A 26 -2.849 -2.991 2.482 1.00 0.00 N ATOM 395 CA LEU A 26 -2.093 -1.707 2.472 1.00 0.00 C ATOM 396 C LEU A 26 -0.597 -2.019 2.457 1.00 0.00 C ATOM 397 O LEU A 26 0.196 -1.273 1.924 1.00 0.00 O ATOM 398 CB LEU A 26 -2.430 -0.864 3.707 1.00 0.00 C ATOM 399 CG LEU A 26 -2.919 0.511 3.252 1.00 0.00 C ATOM 400 CD1 LEU A 26 -4.210 0.864 3.991 1.00 0.00 C ATOM 401 CD2 LEU A 26 -1.847 1.559 3.564 1.00 0.00 C ATOM 0 H LEU A 26 -3.577 -3.074 3.192 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.371 -1.137 1.585 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.197 -1.359 4.303 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.551 -0.760 4.343 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.110 0.494 2.179 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.559 1.844 3.666 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.972 0.117 3.770 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.021 0.883 5.064 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.193 2.541 3.241 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.657 1.577 4.637 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.927 1.307 3.037 1.00 0.00 H new ATOM 413 N SER A 27 -0.205 -3.126 3.028 1.00 0.00 N ATOM 414 CA SER A 27 1.240 -3.490 3.036 1.00 0.00 C ATOM 415 C SER A 27 1.522 -4.496 1.916 1.00 0.00 C ATOM 416 O SER A 27 2.459 -5.265 1.985 1.00 0.00 O ATOM 417 CB SER A 27 1.600 -4.115 4.382 1.00 0.00 C ATOM 418 OG SER A 27 1.772 -3.087 5.348 1.00 0.00 O ATOM 0 H SER A 27 -0.823 -3.794 3.489 1.00 0.00 H new ATOM 0 HA SER A 27 1.840 -2.594 2.878 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.814 -4.800 4.699 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.515 -4.700 4.291 1.00 0.00 H new ATOM 0 HG SER A 27 2.001 -3.486 6.213 1.00 0.00 H new ATOM 424 N GLY A 28 0.733 -4.482 0.877 1.00 0.00 N ATOM 425 CA GLY A 28 0.971 -5.420 -0.254 1.00 0.00 C ATOM 426 C GLY A 28 1.665 -4.627 -1.345 1.00 0.00 C ATOM 427 O GLY A 28 2.731 -4.968 -1.817 1.00 0.00 O ATOM 0 H GLY A 28 -0.067 -3.860 0.763 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.588 -6.260 0.064 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.030 -5.834 -0.617 1.00 0.00 H new ATOM 431 N ILE A 29 1.060 -3.541 -1.716 1.00 0.00 N ATOM 432 CA ILE A 29 1.646 -2.659 -2.742 1.00 0.00 C ATOM 433 C ILE A 29 3.054 -2.288 -2.291 1.00 0.00 C ATOM 434 O ILE A 29 3.945 -2.063 -3.083 1.00 0.00 O ATOM 435 CB ILE A 29 0.766 -1.416 -2.847 1.00 0.00 C ATOM 436 CG1 ILE A 29 1.120 -0.638 -4.109 1.00 0.00 C ATOM 437 CG2 ILE A 29 0.971 -0.530 -1.618 1.00 0.00 C ATOM 438 CD1 ILE A 29 2.536 -0.103 -3.978 1.00 0.00 C ATOM 0 H ILE A 29 0.166 -3.224 -1.341 1.00 0.00 H new ATOM 0 HA ILE A 29 1.699 -3.144 -3.717 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.279 -1.722 -2.897 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.041 -1.283 -4.984 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.419 0.184 -4.254 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.340 0.355 -1.699 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.703 -1.086 -0.720 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.016 -0.227 -1.558 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.799 0.455 -4.877 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.598 0.555 -3.111 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.229 -0.935 -3.852 1.00 0.00 H new ATOM 450 N TYR A 30 3.250 -2.244 -1.007 1.00 0.00 N ATOM 451 CA TYR A 30 4.594 -1.907 -0.458 1.00 0.00 C ATOM 452 C TYR A 30 5.478 -3.156 -0.465 1.00 0.00 C ATOM 453 O TYR A 30 6.523 -3.185 -1.084 1.00 0.00 O ATOM 454 CB TYR A 30 4.445 -1.401 0.977 1.00 0.00 C ATOM 455 CG TYR A 30 3.408 -0.310 1.002 1.00 0.00 C ATOM 456 CD1 TYR A 30 3.300 0.556 -0.086 1.00 0.00 C ATOM 457 CD2 TYR A 30 2.553 -0.167 2.099 1.00 0.00 C ATOM 458 CE1 TYR A 30 2.343 1.568 -0.084 1.00 0.00 C ATOM 459 CE2 TYR A 30 1.590 0.849 2.101 1.00 0.00 C ATOM 460 CZ TYR A 30 1.483 1.716 1.010 1.00 0.00 C ATOM 461 OH TYR A 30 0.532 2.717 1.016 1.00 0.00 O ATOM 0 H TYR A 30 2.532 -2.428 -0.306 1.00 0.00 H new ATOM 0 HA TYR A 30 5.053 -1.133 -1.073 1.00 0.00 H new ATOM 0 HB2 TYR A 30 4.150 -2.217 1.636 1.00 0.00 H new ATOM 0 HB3 TYR A 30 5.399 -1.023 1.345 1.00 0.00 H new ATOM 0 HD1 TYR A 30 3.961 0.441 -0.933 1.00 0.00 H new ATOM 0 HD2 TYR A 30 2.635 -0.838 2.941 1.00 0.00 H new ATOM 0 HE1 TYR A 30 2.265 2.239 -0.927 1.00 0.00 H new ATOM 0 HE2 TYR A 30 0.929 0.963 2.947 1.00 0.00 H new ATOM 0 HH TYR A 30 0.903 3.519 1.440 1.00 0.00 H new ATOM 471 N ALA A 31 5.066 -4.186 0.221 1.00 0.00 N ATOM 472 CA ALA A 31 5.881 -5.432 0.259 1.00 0.00 C ATOM 473 C ALA A 31 6.120 -5.933 -1.166 1.00 0.00 C ATOM 474 O ALA A 31 7.051 -6.669 -1.426 1.00 0.00 O ATOM 475 CB ALA A 31 5.137 -6.503 1.056 1.00 0.00 C ATOM 0 H ALA A 31 4.199 -4.218 0.757 1.00 0.00 H new ATOM 0 HA ALA A 31 6.839 -5.223 0.735 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.733 -7.415 1.084 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.968 -6.148 2.073 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.178 -6.710 0.580 1.00 0.00 H new ATOM 481 N HIS A 32 5.288 -5.545 -2.094 1.00 0.00 N ATOM 482 CA HIS A 32 5.476 -6.009 -3.495 1.00 0.00 C ATOM 483 C HIS A 32 6.647 -5.259 -4.130 1.00 0.00 C ATOM 484 O HIS A 32 7.627 -5.845 -4.544 1.00 0.00 O ATOM 485 CB HIS A 32 4.208 -5.720 -4.298 1.00 0.00 C ATOM 486 CG HIS A 32 4.440 -6.110 -5.731 1.00 0.00 C ATOM 487 ND1 HIS A 32 4.007 -7.320 -6.251 1.00 0.00 N ATOM 488 CD2 HIS A 32 5.069 -5.462 -6.766 1.00 0.00 C ATOM 489 CE1 HIS A 32 4.380 -7.362 -7.544 1.00 0.00 C ATOM 490 NE2 HIS A 32 5.031 -6.255 -7.908 1.00 0.00 N ATOM 0 H HIS A 32 4.489 -4.929 -1.942 1.00 0.00 H new ATOM 0 HA HIS A 32 5.681 -7.080 -3.496 1.00 0.00 H new ATOM 0 HB2 HIS A 32 3.366 -6.278 -3.887 1.00 0.00 H new ATOM 0 HB3 HIS A 32 3.953 -4.662 -4.232 1.00 0.00 H new ATOM 0 HD2 HIS A 32 5.524 -4.485 -6.703 1.00 0.00 H new ATOM 0 HE1 HIS A 32 4.177 -8.191 -8.206 1.00 0.00 H new ATOM 0 HE2 HIS A 32 5.418 -6.037 -8.826 1.00 0.00 H new ATOM 498 N ILE A 33 6.537 -3.965 -4.219 1.00 0.00 N ATOM 499 CA ILE A 33 7.621 -3.152 -4.839 1.00 0.00 C ATOM 500 C ILE A 33 8.940 -3.349 -4.087 1.00 0.00 C ATOM 501 O ILE A 33 9.999 -3.413 -4.678 1.00 0.00 O ATOM 502 CB ILE A 33 7.217 -1.676 -4.794 1.00 0.00 C ATOM 503 CG1 ILE A 33 7.985 -0.919 -5.895 1.00 0.00 C ATOM 504 CG2 ILE A 33 7.508 -1.089 -3.400 1.00 0.00 C ATOM 505 CD1 ILE A 33 8.948 0.119 -5.299 1.00 0.00 C ATOM 0 H ILE A 33 5.735 -3.429 -3.886 1.00 0.00 H new ATOM 0 HA ILE A 33 7.764 -3.471 -5.871 1.00 0.00 H new ATOM 0 HB ILE A 33 6.147 -1.573 -4.975 1.00 0.00 H new ATOM 0 HG12 ILE A 33 8.545 -1.629 -6.503 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.277 -0.421 -6.557 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.217 -0.039 -3.379 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.940 -1.638 -2.648 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.573 -1.174 -3.184 1.00 0.00 H new ATOM 0 HD11 ILE A 33 9.472 0.633 -6.104 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.384 0.844 -4.712 1.00 0.00 H new ATOM 0 HD13 ILE A 33 9.672 -0.383 -4.657 1.00 0.00 H new ATOM 517 N THR A 34 8.885 -3.423 -2.790 1.00 0.00 N ATOM 518 CA THR A 34 10.141 -3.591 -2.004 1.00 0.00 C ATOM 519 C THR A 34 10.870 -4.859 -2.456 1.00 0.00 C ATOM 520 O THR A 34 12.079 -4.881 -2.563 1.00 0.00 O ATOM 521 CB THR A 34 9.803 -3.694 -0.515 1.00 0.00 C ATOM 522 OG1 THR A 34 8.511 -4.261 -0.361 1.00 0.00 O ATOM 523 CG2 THR A 34 9.828 -2.299 0.110 1.00 0.00 C ATOM 0 H THR A 34 8.028 -3.375 -2.238 1.00 0.00 H new ATOM 0 HA THR A 34 10.787 -2.729 -2.170 1.00 0.00 H new ATOM 0 HB THR A 34 10.538 -4.327 -0.018 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.837 -3.551 -0.388 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.587 -2.371 1.171 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.821 -1.865 -0.008 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.094 -1.665 -0.386 1.00 0.00 H new ATOM 531 N LYS A 35 10.150 -5.910 -2.730 1.00 0.00 N ATOM 532 CA LYS A 35 10.813 -7.164 -3.183 1.00 0.00 C ATOM 533 C LYS A 35 11.051 -7.092 -4.693 1.00 0.00 C ATOM 534 O LYS A 35 11.743 -7.912 -5.263 1.00 0.00 O ATOM 535 CB LYS A 35 9.919 -8.364 -2.862 1.00 0.00 C ATOM 536 CG LYS A 35 10.641 -9.295 -1.887 1.00 0.00 C ATOM 537 CD LYS A 35 11.214 -10.491 -2.650 1.00 0.00 C ATOM 538 CE LYS A 35 12.193 -11.248 -1.751 1.00 0.00 C ATOM 539 NZ LYS A 35 11.514 -12.440 -1.167 1.00 0.00 N ATOM 0 H LYS A 35 9.133 -5.955 -2.660 1.00 0.00 H new ATOM 0 HA LYS A 35 11.766 -7.279 -2.667 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.979 -8.024 -2.427 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.671 -8.901 -3.778 1.00 0.00 H new ATOM 0 HG2 LYS A 35 11.442 -8.757 -1.380 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.950 -9.639 -1.117 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.409 -11.153 -2.967 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.721 -10.151 -3.553 1.00 0.00 H new ATOM 0 HE2 LYS A 35 13.065 -11.559 -2.326 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.552 -10.595 -0.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.180 -12.954 -0.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.695 -12.132 -0.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.193 -13.066 -1.933 1.00 0.00 H new ATOM 553 N HIS A 36 10.482 -6.112 -5.346 1.00 0.00 N ATOM 554 CA HIS A 36 10.671 -5.983 -6.818 1.00 0.00 C ATOM 555 C HIS A 36 11.630 -4.826 -7.114 1.00 0.00 C ATOM 556 O HIS A 36 12.748 -5.029 -7.545 1.00 0.00 O ATOM 557 CB HIS A 36 9.322 -5.702 -7.482 1.00 0.00 C ATOM 558 CG HIS A 36 8.613 -7.000 -7.747 1.00 0.00 C ATOM 559 ND1 HIS A 36 8.561 -7.570 -9.009 1.00 0.00 N ATOM 560 CD2 HIS A 36 7.923 -7.855 -6.922 1.00 0.00 C ATOM 561 CE1 HIS A 36 7.861 -8.715 -8.909 1.00 0.00 C ATOM 562 NE2 HIS A 36 7.449 -8.936 -7.658 1.00 0.00 N ATOM 0 H HIS A 36 9.894 -5.395 -4.921 1.00 0.00 H new ATOM 0 HA HIS A 36 11.087 -6.911 -7.211 1.00 0.00 H new ATOM 0 HB2 HIS A 36 8.713 -5.068 -6.838 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.470 -5.159 -8.416 1.00 0.00 H new ATOM 0 HD2 HIS A 36 7.772 -7.710 -5.863 1.00 0.00 H new ATOM 0 HE1 HIS A 36 7.657 -9.375 -9.739 1.00 0.00 H new ATOM 0 HE2 HIS A 36 6.904 -9.727 -7.316 1.00 0.00 H new ATOM 570 N TYR A 37 11.200 -3.615 -6.886 1.00 0.00 N ATOM 571 CA TYR A 37 12.084 -2.446 -7.155 1.00 0.00 C ATOM 572 C TYR A 37 13.068 -2.277 -5.986 1.00 0.00 C ATOM 573 O TYR A 37 12.658 -2.046 -4.867 1.00 0.00 O ATOM 574 CB TYR A 37 11.217 -1.188 -7.315 1.00 0.00 C ATOM 575 CG TYR A 37 10.183 -1.430 -8.394 1.00 0.00 C ATOM 576 CD1 TYR A 37 10.347 -2.491 -9.292 1.00 0.00 C ATOM 577 CD2 TYR A 37 9.057 -0.600 -8.494 1.00 0.00 C ATOM 578 CE1 TYR A 37 9.394 -2.728 -10.285 1.00 0.00 C ATOM 579 CE2 TYR A 37 8.102 -0.838 -9.491 1.00 0.00 C ATOM 580 CZ TYR A 37 8.271 -1.901 -10.386 1.00 0.00 C ATOM 581 OH TYR A 37 7.330 -2.139 -11.365 1.00 0.00 O ATOM 0 H TYR A 37 10.274 -3.385 -6.525 1.00 0.00 H new ATOM 0 HA TYR A 37 12.651 -2.604 -8.072 1.00 0.00 H new ATOM 0 HB2 TYR A 37 10.726 -0.948 -6.372 1.00 0.00 H new ATOM 0 HB3 TYR A 37 11.840 -0.333 -7.577 1.00 0.00 H new ATOM 0 HD1 TYR A 37 11.215 -3.130 -9.217 1.00 0.00 H new ATOM 0 HD2 TYR A 37 8.926 0.221 -7.804 1.00 0.00 H new ATOM 0 HE1 TYR A 37 9.524 -3.549 -10.974 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.234 -0.200 -9.569 1.00 0.00 H new ATOM 0 HH TYR A 37 7.535 -1.596 -12.155 1.00 0.00 H new ATOM 591 N PRO A 38 14.341 -2.422 -6.279 1.00 0.00 N ATOM 592 CA PRO A 38 15.409 -2.315 -5.266 1.00 0.00 C ATOM 593 C PRO A 38 15.694 -0.854 -4.902 1.00 0.00 C ATOM 594 O PRO A 38 16.014 -0.543 -3.772 1.00 0.00 O ATOM 595 CB PRO A 38 16.623 -2.947 -5.954 1.00 0.00 C ATOM 596 CG PRO A 38 16.356 -2.860 -7.473 1.00 0.00 C ATOM 597 CD PRO A 38 14.835 -2.703 -7.644 1.00 0.00 C ATOM 0 HA PRO A 38 15.143 -2.804 -4.329 1.00 0.00 H new ATOM 0 HB2 PRO A 38 17.539 -2.418 -5.689 1.00 0.00 H new ATOM 0 HB3 PRO A 38 16.752 -3.983 -5.641 1.00 0.00 H new ATOM 0 HG2 PRO A 38 16.885 -2.013 -7.911 1.00 0.00 H new ATOM 0 HG3 PRO A 38 16.713 -3.756 -7.981 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.594 -1.891 -8.329 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.385 -3.608 -8.051 1.00 0.00 H new ATOM 605 N TYR A 39 15.589 0.048 -5.841 1.00 0.00 N ATOM 606 CA TYR A 39 15.868 1.475 -5.517 1.00 0.00 C ATOM 607 C TYR A 39 14.860 1.975 -4.484 1.00 0.00 C ATOM 608 O TYR A 39 15.018 3.034 -3.911 1.00 0.00 O ATOM 609 CB TYR A 39 15.798 2.327 -6.789 1.00 0.00 C ATOM 610 CG TYR A 39 14.361 2.537 -7.206 1.00 0.00 C ATOM 611 CD1 TYR A 39 13.713 1.578 -7.992 1.00 0.00 C ATOM 612 CD2 TYR A 39 13.683 3.698 -6.817 1.00 0.00 C ATOM 613 CE1 TYR A 39 12.386 1.779 -8.389 1.00 0.00 C ATOM 614 CE2 TYR A 39 12.357 3.901 -7.215 1.00 0.00 C ATOM 615 CZ TYR A 39 11.708 2.941 -8.001 1.00 0.00 C ATOM 616 OH TYR A 39 10.401 3.141 -8.392 1.00 0.00 O ATOM 0 H TYR A 39 15.325 -0.139 -6.808 1.00 0.00 H new ATOM 0 HA TYR A 39 16.872 1.559 -5.100 1.00 0.00 H new ATOM 0 HB2 TYR A 39 16.277 3.291 -6.615 1.00 0.00 H new ATOM 0 HB3 TYR A 39 16.348 1.838 -7.593 1.00 0.00 H new ATOM 0 HD1 TYR A 39 14.237 0.683 -8.292 1.00 0.00 H new ATOM 0 HD2 TYR A 39 14.183 4.437 -6.209 1.00 0.00 H new ATOM 0 HE1 TYR A 39 11.885 1.038 -8.994 1.00 0.00 H new ATOM 0 HE2 TYR A 39 11.834 4.798 -6.916 1.00 0.00 H new ATOM 0 HH TYR A 39 9.801 2.936 -7.645 1.00 0.00 H new ATOM 626 N TYR A 40 13.831 1.216 -4.229 1.00 0.00 N ATOM 627 CA TYR A 40 12.822 1.642 -3.221 1.00 0.00 C ATOM 628 C TYR A 40 13.214 1.107 -1.843 1.00 0.00 C ATOM 629 O TYR A 40 12.744 1.577 -0.825 1.00 0.00 O ATOM 630 CB TYR A 40 11.454 1.087 -3.608 1.00 0.00 C ATOM 631 CG TYR A 40 10.521 2.232 -3.891 1.00 0.00 C ATOM 632 CD1 TYR A 40 9.878 2.882 -2.834 1.00 0.00 C ATOM 633 CD2 TYR A 40 10.296 2.643 -5.207 1.00 0.00 C ATOM 634 CE1 TYR A 40 9.008 3.946 -3.093 1.00 0.00 C ATOM 635 CE2 TYR A 40 9.424 3.706 -5.470 1.00 0.00 C ATOM 636 CZ TYR A 40 8.779 4.358 -4.412 1.00 0.00 C ATOM 637 OH TYR A 40 7.920 5.406 -4.669 1.00 0.00 O ATOM 0 H TYR A 40 13.645 0.318 -4.676 1.00 0.00 H new ATOM 0 HA TYR A 40 12.781 2.731 -3.189 1.00 0.00 H new ATOM 0 HB2 TYR A 40 11.542 0.448 -4.487 1.00 0.00 H new ATOM 0 HB3 TYR A 40 11.057 0.469 -2.803 1.00 0.00 H new ATOM 0 HD1 TYR A 40 10.053 2.563 -1.817 1.00 0.00 H new ATOM 0 HD2 TYR A 40 10.795 2.140 -6.022 1.00 0.00 H new ATOM 0 HE1 TYR A 40 8.513 4.450 -2.276 1.00 0.00 H new ATOM 0 HE2 TYR A 40 9.249 4.023 -6.488 1.00 0.00 H new ATOM 0 HH TYR A 40 7.875 5.563 -5.635 1.00 0.00 H new ATOM 647 N ARG A 41 14.067 0.120 -1.801 1.00 0.00 N ATOM 648 CA ARG A 41 14.483 -0.451 -0.489 1.00 0.00 C ATOM 649 C ARG A 41 15.202 0.618 0.337 1.00 0.00 C ATOM 650 O ARG A 41 15.023 0.715 1.534 1.00 0.00 O ATOM 651 CB ARG A 41 15.428 -1.630 -0.725 1.00 0.00 C ATOM 652 CG ARG A 41 14.628 -2.935 -0.730 1.00 0.00 C ATOM 653 CD ARG A 41 15.248 -3.917 0.266 1.00 0.00 C ATOM 654 NE ARG A 41 14.212 -4.343 1.250 1.00 0.00 N ATOM 655 CZ ARG A 41 13.321 -5.236 0.918 1.00 0.00 C ATOM 656 NH1 ARG A 41 13.244 -5.662 -0.314 1.00 0.00 N ATOM 657 NH2 ARG A 41 12.506 -5.708 1.822 1.00 0.00 N ATOM 0 H ARG A 41 14.494 -0.316 -2.619 1.00 0.00 H new ATOM 0 HA ARG A 41 13.600 -0.791 0.052 1.00 0.00 H new ATOM 0 HB2 ARG A 41 15.949 -1.507 -1.674 1.00 0.00 H new ATOM 0 HB3 ARG A 41 16.189 -1.661 0.055 1.00 0.00 H new ATOM 0 HG2 ARG A 41 13.589 -2.738 -0.464 1.00 0.00 H new ATOM 0 HG3 ARG A 41 14.625 -3.368 -1.730 1.00 0.00 H new ATOM 0 HD2 ARG A 41 15.644 -4.785 -0.261 1.00 0.00 H new ATOM 0 HD3 ARG A 41 16.085 -3.448 0.783 1.00 0.00 H new ATOM 0 HE ARG A 41 14.200 -3.935 2.185 1.00 0.00 H new ATOM 0 HH11 ARG A 41 13.882 -5.296 -1.021 1.00 0.00 H new ATOM 0 HH12 ARG A 41 12.546 -6.360 -0.569 1.00 0.00 H new ATOM 0 HH21 ARG A 41 12.567 -5.378 2.785 1.00 0.00 H new ATOM 0 HH22 ARG A 41 11.808 -6.406 1.565 1.00 0.00 H new ATOM 671 N THR A 42 16.020 1.418 -0.290 1.00 0.00 N ATOM 672 CA THR A 42 16.755 2.472 0.464 1.00 0.00 C ATOM 673 C THR A 42 16.046 3.820 0.306 1.00 0.00 C ATOM 674 O THR A 42 16.204 4.710 1.118 1.00 0.00 O ATOM 675 CB THR A 42 18.183 2.578 -0.075 1.00 0.00 C ATOM 676 OG1 THR A 42 18.164 2.441 -1.490 1.00 0.00 O ATOM 677 CG2 THR A 42 19.044 1.471 0.534 1.00 0.00 C ATOM 0 H THR A 42 16.211 1.387 -1.291 1.00 0.00 H new ATOM 0 HA THR A 42 16.780 2.206 1.521 1.00 0.00 H new ATOM 0 HB THR A 42 18.601 3.548 0.192 1.00 0.00 H new ATOM 0 HG1 THR A 42 19.078 2.510 -1.838 1.00 0.00 H new ATOM 0 HG21 THR A 42 20.061 1.548 0.149 1.00 0.00 H new ATOM 0 HG22 THR A 42 19.058 1.576 1.619 1.00 0.00 H new ATOM 0 HG23 THR A 42 18.628 0.499 0.269 1.00 0.00 H new ATOM 685 N ALA A 43 15.271 3.981 -0.730 1.00 0.00 N ATOM 686 CA ALA A 43 14.562 5.278 -0.931 1.00 0.00 C ATOM 687 C ALA A 43 13.075 5.113 -0.605 1.00 0.00 C ATOM 688 O ALA A 43 12.285 4.728 -1.445 1.00 0.00 O ATOM 689 CB ALA A 43 14.719 5.727 -2.385 1.00 0.00 C ATOM 0 H ALA A 43 15.097 3.274 -1.445 1.00 0.00 H new ATOM 0 HA ALA A 43 14.994 6.029 -0.269 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.201 6.675 -2.531 1.00 0.00 H new ATOM 0 HB2 ALA A 43 15.777 5.853 -2.615 1.00 0.00 H new ATOM 0 HB3 ALA A 43 14.291 4.974 -3.047 1.00 0.00 H new ATOM 695 N ASP A 44 12.685 5.405 0.605 1.00 0.00 N ATOM 696 CA ASP A 44 11.247 5.272 0.978 1.00 0.00 C ATOM 697 C ASP A 44 10.689 6.657 1.303 1.00 0.00 C ATOM 698 O ASP A 44 10.463 6.993 2.449 1.00 0.00 O ATOM 699 CB ASP A 44 11.098 4.367 2.210 1.00 0.00 C ATOM 700 CG ASP A 44 12.354 3.508 2.389 1.00 0.00 C ATOM 701 OD1 ASP A 44 12.764 2.885 1.424 1.00 0.00 O ATOM 702 OD2 ASP A 44 12.883 3.489 3.489 1.00 0.00 O ATOM 0 H ASP A 44 13.299 5.730 1.352 1.00 0.00 H new ATOM 0 HA ASP A 44 10.700 4.830 0.145 1.00 0.00 H new ATOM 0 HB2 ASP A 44 10.934 4.975 3.100 1.00 0.00 H new ATOM 0 HB3 ASP A 44 10.223 3.727 2.096 1.00 0.00 H new ATOM 707 N LYS A 45 10.472 7.469 0.304 1.00 0.00 N ATOM 708 CA LYS A 45 9.939 8.836 0.561 1.00 0.00 C ATOM 709 C LYS A 45 8.557 8.733 1.223 1.00 0.00 C ATOM 710 O LYS A 45 8.386 8.025 2.196 1.00 0.00 O ATOM 711 CB LYS A 45 9.847 9.601 -0.761 1.00 0.00 C ATOM 712 CG LYS A 45 8.993 8.817 -1.757 1.00 0.00 C ATOM 713 CD LYS A 45 8.743 9.677 -2.996 1.00 0.00 C ATOM 714 CE LYS A 45 9.533 9.114 -4.179 1.00 0.00 C ATOM 715 NZ LYS A 45 9.300 9.964 -5.381 1.00 0.00 N ATOM 0 H LYS A 45 10.641 7.245 -0.677 1.00 0.00 H new ATOM 0 HA LYS A 45 10.607 9.374 1.233 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.412 10.586 -0.592 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.845 9.759 -1.170 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.498 7.893 -2.038 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.045 8.536 -1.298 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.679 9.693 -3.231 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.043 10.707 -2.803 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.596 9.087 -3.940 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.225 8.088 -4.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.837 9.582 -6.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.286 9.968 -5.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.615 10.936 -5.185 1.00 0.00 H new ATOM 729 N GLY A 46 7.571 9.437 0.728 1.00 0.00 N ATOM 730 CA GLY A 46 6.224 9.369 1.364 1.00 0.00 C ATOM 731 C GLY A 46 5.278 8.500 0.531 1.00 0.00 C ATOM 732 O GLY A 46 4.072 8.602 0.644 1.00 0.00 O ATOM 0 H GLY A 46 7.641 10.051 -0.083 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.311 8.959 2.370 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.812 10.373 1.463 1.00 0.00 H new ATOM 736 N TRP A 47 5.804 7.642 -0.300 1.00 0.00 N ATOM 737 CA TRP A 47 4.919 6.775 -1.123 1.00 0.00 C ATOM 738 C TRP A 47 4.066 5.891 -0.208 1.00 0.00 C ATOM 739 O TRP A 47 3.113 5.275 -0.639 1.00 0.00 O ATOM 740 CB TRP A 47 5.774 5.892 -2.033 1.00 0.00 C ATOM 741 CG TRP A 47 6.482 4.854 -1.220 1.00 0.00 C ATOM 742 CD1 TRP A 47 7.351 5.104 -0.210 1.00 0.00 C ATOM 743 CD2 TRP A 47 6.405 3.405 -1.342 1.00 0.00 C ATOM 744 NE1 TRP A 47 7.808 3.901 0.293 1.00 0.00 N ATOM 745 CE2 TRP A 47 7.256 2.825 -0.371 1.00 0.00 C ATOM 746 CE3 TRP A 47 5.686 2.546 -2.193 1.00 0.00 C ATOM 747 CZ2 TRP A 47 7.392 1.443 -0.249 1.00 0.00 C ATOM 748 CZ3 TRP A 47 5.822 1.154 -2.072 1.00 0.00 C ATOM 749 CH2 TRP A 47 6.672 0.604 -1.103 1.00 0.00 C ATOM 0 H TRP A 47 6.805 7.505 -0.443 1.00 0.00 H new ATOM 0 HA TRP A 47 4.265 7.400 -1.731 1.00 0.00 H new ATOM 0 HB2 TRP A 47 5.145 5.412 -2.783 1.00 0.00 H new ATOM 0 HB3 TRP A 47 6.500 6.503 -2.569 1.00 0.00 H new ATOM 0 HD1 TRP A 47 7.639 6.083 0.144 1.00 0.00 H new ATOM 0 HE1 TRP A 47 8.473 3.818 1.062 1.00 0.00 H new ATOM 0 HE3 TRP A 47 5.027 2.959 -2.942 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 8.048 1.024 0.499 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 5.267 0.502 -2.731 1.00 0.00 H new ATOM 0 HH2 TRP A 47 6.770 -0.468 -1.016 1.00 0.00 H new ATOM 760 N GLN A 48 4.400 5.822 1.051 1.00 0.00 N ATOM 761 CA GLN A 48 3.608 4.973 1.987 1.00 0.00 C ATOM 762 C GLN A 48 2.157 5.462 2.032 1.00 0.00 C ATOM 763 O GLN A 48 1.280 4.882 1.424 1.00 0.00 O ATOM 764 CB GLN A 48 4.219 5.055 3.389 1.00 0.00 C ATOM 765 CG GLN A 48 4.452 3.642 3.927 1.00 0.00 C ATOM 766 CD GLN A 48 5.554 2.961 3.115 1.00 0.00 C ATOM 767 OE1 GLN A 48 6.725 3.176 3.356 1.00 0.00 O ATOM 768 NE2 GLN A 48 5.227 2.141 2.153 1.00 0.00 N ATOM 0 H GLN A 48 5.186 6.316 1.473 1.00 0.00 H new ATOM 0 HA GLN A 48 3.627 3.940 1.639 1.00 0.00 H new ATOM 0 HB2 GLN A 48 5.161 5.603 3.355 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.554 5.604 4.056 1.00 0.00 H new ATOM 0 HG2 GLN A 48 4.734 3.684 4.979 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.531 3.062 3.867 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.244 1.960 1.950 1.00 0.00 H new ATOM 0 HE22 GLN A 48 5.954 1.682 1.605 1.00 0.00 H new ATOM 777 N ASN A 49 1.895 6.519 2.749 1.00 0.00 N ATOM 778 CA ASN A 49 0.497 7.033 2.834 1.00 0.00 C ATOM 779 C ASN A 49 0.030 7.493 1.450 1.00 0.00 C ATOM 780 O ASN A 49 -1.143 7.715 1.224 1.00 0.00 O ATOM 781 CB ASN A 49 0.446 8.215 3.806 1.00 0.00 C ATOM 782 CG ASN A 49 -0.074 7.740 5.164 1.00 0.00 C ATOM 783 OD1 ASN A 49 -0.805 8.447 5.830 1.00 0.00 O ATOM 784 ND2 ASN A 49 0.273 6.562 5.608 1.00 0.00 N ATOM 0 H ASN A 49 2.586 7.049 3.279 1.00 0.00 H new ATOM 0 HA ASN A 49 -0.157 6.237 3.190 1.00 0.00 H new ATOM 0 HB2 ASN A 49 1.439 8.650 3.917 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -0.202 8.997 3.410 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -0.069 6.237 6.512 1.00 0.00 H new ATOM 0 HD22 ASN A 49 0.886 5.967 5.051 1.00 0.00 H new ATOM 791 N SER A 50 0.937 7.643 0.525 1.00 0.00 N ATOM 792 CA SER A 50 0.545 8.092 -0.841 1.00 0.00 C ATOM 793 C SER A 50 -0.177 6.962 -1.579 1.00 0.00 C ATOM 794 O SER A 50 -1.219 7.158 -2.171 1.00 0.00 O ATOM 795 CB SER A 50 1.797 8.490 -1.624 1.00 0.00 C ATOM 796 OG SER A 50 1.468 9.522 -2.542 1.00 0.00 O ATOM 0 H SER A 50 1.934 7.474 0.656 1.00 0.00 H new ATOM 0 HA SER A 50 -0.125 8.948 -0.756 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.575 8.830 -0.940 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.196 7.627 -2.157 1.00 0.00 H new ATOM 0 HG SER A 50 2.269 9.780 -3.044 1.00 0.00 H new ATOM 802 N ILE A 51 0.379 5.781 -1.559 1.00 0.00 N ATOM 803 CA ILE A 51 -0.261 4.639 -2.270 1.00 0.00 C ATOM 804 C ILE A 51 -1.678 4.412 -1.746 1.00 0.00 C ATOM 805 O ILE A 51 -2.633 4.458 -2.495 1.00 0.00 O ATOM 806 CB ILE A 51 0.566 3.371 -2.049 1.00 0.00 C ATOM 807 CG1 ILE A 51 1.901 3.458 -2.807 1.00 0.00 C ATOM 808 CG2 ILE A 51 -0.211 2.157 -2.551 1.00 0.00 C ATOM 809 CD1 ILE A 51 1.707 4.144 -4.156 1.00 0.00 C ATOM 0 H ILE A 51 1.251 5.558 -1.079 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.308 4.871 -3.334 1.00 0.00 H new ATOM 0 HB ILE A 51 0.766 3.272 -0.982 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.628 4.011 -2.212 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.307 2.457 -2.956 1.00 0.00 H new ATOM 0 HG21 ILE A 51 0.381 1.255 -2.392 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.151 2.075 -2.005 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.418 2.272 -3.615 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.662 4.197 -4.678 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.997 3.574 -4.755 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.323 5.152 -4.000 1.00 0.00 H new ATOM 821 N ARG A 52 -1.833 4.160 -0.472 1.00 0.00 N ATOM 822 CA ARG A 52 -3.202 3.913 0.064 1.00 0.00 C ATOM 823 C ARG A 52 -4.144 4.993 -0.459 1.00 0.00 C ATOM 824 O ARG A 52 -5.254 4.715 -0.871 1.00 0.00 O ATOM 825 CB ARG A 52 -3.181 3.945 1.595 1.00 0.00 C ATOM 826 CG ARG A 52 -2.148 4.963 2.083 1.00 0.00 C ATOM 827 CD ARG A 52 -2.713 5.721 3.287 1.00 0.00 C ATOM 828 NE ARG A 52 -3.814 6.617 2.836 1.00 0.00 N ATOM 829 CZ ARG A 52 -4.578 7.206 3.715 1.00 0.00 C ATOM 830 NH1 ARG A 52 -4.079 7.590 4.857 1.00 0.00 N ATOM 831 NH2 ARG A 52 -5.842 7.409 3.453 1.00 0.00 N ATOM 0 H ARG A 52 -1.079 4.115 0.213 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.547 2.932 -0.262 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.169 4.206 1.975 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.941 2.956 1.984 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -1.224 4.456 2.359 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.902 5.661 1.282 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.084 5.017 4.032 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.926 6.305 3.764 1.00 0.00 H new ATOM 0 HE ARG A 52 -3.971 6.770 1.840 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.093 7.430 5.062 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.675 8.050 5.545 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.233 7.107 2.561 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -6.438 7.869 4.141 1.00 0.00 H new ATOM 845 N HIS A 53 -3.710 6.218 -0.467 1.00 0.00 N ATOM 846 CA HIS A 53 -4.579 7.304 -0.987 1.00 0.00 C ATOM 847 C HIS A 53 -4.606 7.226 -2.513 1.00 0.00 C ATOM 848 O HIS A 53 -5.545 7.655 -3.153 1.00 0.00 O ATOM 849 CB HIS A 53 -4.011 8.659 -0.558 1.00 0.00 C ATOM 850 CG HIS A 53 -5.116 9.679 -0.510 1.00 0.00 C ATOM 851 ND1 HIS A 53 -6.431 9.368 -0.829 1.00 0.00 N ATOM 852 CD2 HIS A 53 -5.117 11.011 -0.182 1.00 0.00 C ATOM 853 CE1 HIS A 53 -7.159 10.490 -0.687 1.00 0.00 C ATOM 854 NE2 HIS A 53 -6.408 11.522 -0.293 1.00 0.00 N ATOM 0 H HIS A 53 -2.792 6.515 -0.136 1.00 0.00 H new ATOM 0 HA HIS A 53 -5.589 7.193 -0.591 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -3.539 8.573 0.421 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -3.238 8.978 -1.257 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -4.248 11.578 0.117 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -8.222 10.549 -0.869 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -6.714 12.478 -0.112 1.00 0.00 H new ATOM 862 N ASN A 54 -3.569 6.692 -3.101 1.00 0.00 N ATOM 863 CA ASN A 54 -3.512 6.597 -4.584 1.00 0.00 C ATOM 864 C ASN A 54 -4.498 5.548 -5.106 1.00 0.00 C ATOM 865 O ASN A 54 -5.137 5.749 -6.120 1.00 0.00 O ATOM 866 CB ASN A 54 -2.093 6.217 -5.009 1.00 0.00 C ATOM 867 CG ASN A 54 -1.190 7.449 -4.915 1.00 0.00 C ATOM 868 OD1 ASN A 54 -1.533 8.505 -5.409 1.00 0.00 O ATOM 869 ND2 ASN A 54 -0.043 7.362 -4.297 1.00 0.00 N ATOM 0 H ASN A 54 -2.756 6.316 -2.613 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.785 7.565 -5.005 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -1.710 5.422 -4.369 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.097 5.832 -6.029 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.563 8.179 -4.230 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.247 6.477 -3.882 1.00 0.00 H new ATOM 876 N LEU A 55 -4.625 4.423 -4.450 1.00 0.00 N ATOM 877 CA LEU A 55 -5.571 3.393 -4.972 1.00 0.00 C ATOM 878 C LEU A 55 -7.003 3.879 -4.743 1.00 0.00 C ATOM 879 O LEU A 55 -7.948 3.329 -5.273 1.00 0.00 O ATOM 880 CB LEU A 55 -5.370 2.020 -4.292 1.00 0.00 C ATOM 881 CG LEU A 55 -3.897 1.753 -3.927 1.00 0.00 C ATOM 882 CD1 LEU A 55 -2.942 2.521 -4.845 1.00 0.00 C ATOM 883 CD2 LEU A 55 -3.667 2.151 -2.469 1.00 0.00 C ATOM 0 H LEU A 55 -4.127 4.177 -3.595 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.376 3.258 -6.036 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.979 1.972 -3.389 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.725 1.233 -4.958 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.691 0.691 -4.060 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.912 2.309 -4.558 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.102 2.211 -5.878 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.131 3.591 -4.753 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.627 1.966 -2.201 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.892 3.210 -2.341 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.318 1.562 -1.824 1.00 0.00 H new ATOM 895 N SER A 56 -7.170 4.917 -3.968 1.00 0.00 N ATOM 896 CA SER A 56 -8.538 5.452 -3.718 1.00 0.00 C ATOM 897 C SER A 56 -8.858 6.516 -4.768 1.00 0.00 C ATOM 898 O SER A 56 -9.957 6.589 -5.280 1.00 0.00 O ATOM 899 CB SER A 56 -8.600 6.077 -2.324 1.00 0.00 C ATOM 900 OG SER A 56 -9.426 5.279 -1.487 1.00 0.00 O ATOM 0 H SER A 56 -6.416 5.418 -3.497 1.00 0.00 H new ATOM 0 HA SER A 56 -9.264 4.642 -3.780 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.598 6.151 -1.901 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.996 7.091 -2.385 1.00 0.00 H new ATOM 0 HG SER A 56 -9.466 5.677 -0.592 1.00 0.00 H new ATOM 906 N LEU A 57 -7.901 7.345 -5.095 1.00 0.00 N ATOM 907 CA LEU A 57 -8.146 8.407 -6.113 1.00 0.00 C ATOM 908 C LEU A 57 -8.102 7.790 -7.510 1.00 0.00 C ATOM 909 O LEU A 57 -8.871 8.143 -8.382 1.00 0.00 O ATOM 910 CB LEU A 57 -7.062 9.482 -6.011 1.00 0.00 C ATOM 911 CG LEU A 57 -6.811 9.839 -4.546 1.00 0.00 C ATOM 912 CD1 LEU A 57 -5.351 10.260 -4.371 1.00 0.00 C ATOM 913 CD2 LEU A 57 -7.726 10.996 -4.142 1.00 0.00 C ATOM 0 H LEU A 57 -6.960 7.332 -4.700 1.00 0.00 H new ATOM 0 HA LEU A 57 -9.123 8.855 -5.934 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -6.140 9.124 -6.469 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.368 10.371 -6.563 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.019 8.973 -3.917 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.169 10.515 -3.327 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.698 9.438 -4.663 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.145 11.127 -4.998 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.549 11.252 -3.098 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.516 11.862 -4.769 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.767 10.699 -4.271 1.00 0.00 H new ATOM 925 N ASN A 58 -7.200 6.875 -7.731 1.00 0.00 N ATOM 926 CA ASN A 58 -7.096 6.239 -9.073 1.00 0.00 C ATOM 927 C ASN A 58 -8.496 5.858 -9.558 1.00 0.00 C ATOM 928 O ASN A 58 -9.312 5.369 -8.802 1.00 0.00 O ATOM 929 CB ASN A 58 -6.219 4.989 -8.978 1.00 0.00 C ATOM 930 CG ASN A 58 -4.740 5.393 -8.948 1.00 0.00 C ATOM 931 OD1 ASN A 58 -3.898 4.688 -9.469 1.00 0.00 O ATOM 932 ND2 ASN A 58 -4.382 6.504 -8.358 1.00 0.00 N ATOM 0 H ASN A 58 -6.530 6.540 -7.039 1.00 0.00 H new ATOM 0 HA ASN A 58 -6.646 6.937 -9.779 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -6.470 4.425 -8.079 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -6.409 4.334 -9.829 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.399 6.776 -8.336 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -5.086 7.098 -7.920 1.00 0.00 H new ATOM 939 N ARG A 59 -8.788 6.092 -10.809 1.00 0.00 N ATOM 940 CA ARG A 59 -10.143 5.755 -11.328 1.00 0.00 C ATOM 941 C ARG A 59 -10.225 4.263 -11.660 1.00 0.00 C ATOM 942 O ARG A 59 -11.242 3.777 -12.117 1.00 0.00 O ATOM 943 CB ARG A 59 -10.436 6.589 -12.585 1.00 0.00 C ATOM 944 CG ARG A 59 -9.662 6.037 -13.788 1.00 0.00 C ATOM 945 CD ARG A 59 -8.531 6.999 -14.155 1.00 0.00 C ATOM 946 NE ARG A 59 -8.138 6.780 -15.576 1.00 0.00 N ATOM 947 CZ ARG A 59 -8.774 7.398 -16.533 1.00 0.00 C ATOM 948 NH1 ARG A 59 -9.897 6.915 -16.987 1.00 0.00 N ATOM 949 NH2 ARG A 59 -8.287 8.499 -17.037 1.00 0.00 N ATOM 0 H ARG A 59 -8.149 6.500 -11.491 1.00 0.00 H new ATOM 0 HA ARG A 59 -10.885 5.984 -10.563 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -11.505 6.576 -12.796 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -10.158 7.629 -12.412 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -9.255 5.054 -13.551 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -10.333 5.908 -14.637 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -8.854 8.030 -14.010 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.675 6.838 -13.500 1.00 0.00 H new ATOM 0 HE ARG A 59 -7.371 6.146 -15.801 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -10.278 6.054 -16.594 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -10.394 7.398 -17.735 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -7.408 8.877 -16.683 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -8.785 8.981 -17.785 1.00 0.00 H new ATOM 963 N TYR A 60 -9.171 3.523 -11.434 1.00 0.00 N ATOM 964 CA TYR A 60 -9.221 2.065 -11.743 1.00 0.00 C ATOM 965 C TYR A 60 -8.974 1.253 -10.474 1.00 0.00 C ATOM 966 O TYR A 60 -9.246 0.071 -10.423 1.00 0.00 O ATOM 967 CB TYR A 60 -8.171 1.701 -12.798 1.00 0.00 C ATOM 968 CG TYR A 60 -6.861 2.409 -12.531 1.00 0.00 C ATOM 969 CD1 TYR A 60 -6.760 3.788 -12.733 1.00 0.00 C ATOM 970 CD2 TYR A 60 -5.738 1.680 -12.110 1.00 0.00 C ATOM 971 CE1 TYR A 60 -5.546 4.444 -12.511 1.00 0.00 C ATOM 972 CE2 TYR A 60 -4.522 2.337 -11.895 1.00 0.00 C ATOM 973 CZ TYR A 60 -4.426 3.719 -12.094 1.00 0.00 C ATOM 974 OH TYR A 60 -3.225 4.365 -11.882 1.00 0.00 O ATOM 0 H TYR A 60 -8.287 3.861 -11.053 1.00 0.00 H new ATOM 0 HA TYR A 60 -10.210 1.831 -12.136 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -8.011 0.623 -12.799 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -8.538 1.970 -13.788 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -7.623 4.349 -13.062 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -5.813 0.614 -11.952 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -5.473 5.511 -12.662 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -3.656 1.777 -11.575 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.080 4.478 -10.919 1.00 0.00 H new ATOM 984 N PHE A 61 -8.466 1.871 -9.448 1.00 0.00 N ATOM 985 CA PHE A 61 -8.214 1.120 -8.190 1.00 0.00 C ATOM 986 C PHE A 61 -9.446 1.229 -7.287 1.00 0.00 C ATOM 987 O PHE A 61 -10.235 2.143 -7.410 1.00 0.00 O ATOM 988 CB PHE A 61 -6.988 1.703 -7.484 1.00 0.00 C ATOM 989 CG PHE A 61 -5.725 1.310 -8.227 1.00 0.00 C ATOM 990 CD1 PHE A 61 -5.660 0.102 -8.938 1.00 0.00 C ATOM 991 CD2 PHE A 61 -4.610 2.156 -8.203 1.00 0.00 C ATOM 992 CE1 PHE A 61 -4.492 -0.250 -9.615 1.00 0.00 C ATOM 993 CE2 PHE A 61 -3.446 1.798 -8.878 1.00 0.00 C ATOM 994 CZ PHE A 61 -3.386 0.598 -9.584 1.00 0.00 C ATOM 0 H PHE A 61 -8.215 2.859 -9.425 1.00 0.00 H new ATOM 0 HA PHE A 61 -8.025 0.070 -8.415 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -7.068 2.789 -7.436 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.943 1.341 -6.457 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -6.516 -0.556 -8.961 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -4.653 3.088 -7.660 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.445 -1.179 -10.163 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -2.587 2.452 -8.854 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.482 0.325 -10.108 1.00 0.00 H new ATOM 1004 N ILE A 62 -9.625 0.297 -6.391 1.00 0.00 N ATOM 1005 CA ILE A 62 -10.819 0.351 -5.497 1.00 0.00 C ATOM 1006 C ILE A 62 -10.448 -0.164 -4.103 1.00 0.00 C ATOM 1007 O ILE A 62 -9.314 -0.508 -3.837 1.00 0.00 O ATOM 1008 CB ILE A 62 -11.942 -0.516 -6.091 1.00 0.00 C ATOM 1009 CG1 ILE A 62 -11.690 -1.994 -5.774 1.00 0.00 C ATOM 1010 CG2 ILE A 62 -11.986 -0.332 -7.608 1.00 0.00 C ATOM 1011 CD1 ILE A 62 -12.720 -2.482 -4.755 1.00 0.00 C ATOM 0 H ILE A 62 -9.001 -0.495 -6.239 1.00 0.00 H new ATOM 0 HA ILE A 62 -11.163 1.382 -5.414 1.00 0.00 H new ATOM 0 HB ILE A 62 -12.892 -0.208 -5.653 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -11.755 -2.588 -6.685 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -10.682 -2.125 -5.379 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -12.783 -0.947 -8.026 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -12.176 0.715 -7.842 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -11.031 -0.633 -8.039 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -12.540 -3.533 -4.530 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -12.633 -1.895 -3.840 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -13.723 -2.366 -5.167 1.00 0.00 H new ATOM 1023 N LYS A 63 -11.403 -0.228 -3.215 1.00 0.00 N ATOM 1024 CA LYS A 63 -11.115 -0.728 -1.842 1.00 0.00 C ATOM 1025 C LYS A 63 -12.247 -1.655 -1.397 1.00 0.00 C ATOM 1026 O LYS A 63 -13.356 -1.573 -1.887 1.00 0.00 O ATOM 1027 CB LYS A 63 -11.009 0.454 -0.875 1.00 0.00 C ATOM 1028 CG LYS A 63 -9.652 0.414 -0.170 1.00 0.00 C ATOM 1029 CD LYS A 63 -9.459 1.696 0.643 1.00 0.00 C ATOM 1030 CE LYS A 63 -8.572 1.404 1.855 1.00 0.00 C ATOM 1031 NZ LYS A 63 -8.207 2.684 2.525 1.00 0.00 N ATOM 0 H LYS A 63 -12.371 0.045 -3.382 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.172 -1.275 -1.843 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.122 1.393 -1.417 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -11.814 0.411 -0.141 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.596 -0.456 0.485 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.852 0.313 -0.904 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.003 2.467 0.023 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -10.425 2.080 0.970 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.096 0.752 2.554 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.672 0.876 1.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.604 2.485 3.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.691 3.291 1.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.071 3.171 2.838 1.00 0.00 H new ATOM 1045 N VAL A 64 -11.979 -2.536 -0.475 1.00 0.00 N ATOM 1046 CA VAL A 64 -13.043 -3.466 -0.004 1.00 0.00 C ATOM 1047 C VAL A 64 -12.895 -3.691 1.504 1.00 0.00 C ATOM 1048 O VAL A 64 -12.176 -4.574 1.930 1.00 0.00 O ATOM 1049 CB VAL A 64 -12.915 -4.803 -0.736 1.00 0.00 C ATOM 1050 CG1 VAL A 64 -13.059 -4.577 -2.243 1.00 0.00 C ATOM 1051 CG2 VAL A 64 -11.545 -5.417 -0.443 1.00 0.00 C ATOM 0 H VAL A 64 -11.070 -2.653 -0.027 1.00 0.00 H new ATOM 0 HA VAL A 64 -14.021 -3.032 -0.211 1.00 0.00 H new ATOM 0 HB VAL A 64 -13.698 -5.479 -0.393 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -12.968 -5.530 -2.764 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -14.035 -4.140 -2.454 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -12.277 -3.900 -2.586 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -11.454 -6.370 -0.965 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.762 -4.740 -0.785 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -11.441 -5.580 0.630 1.00 0.00 H new ATOM 1218 N PHE A 76 -7.706 -3.865 3.165 1.00 0.00 N ATOM 1219 CA PHE A 76 -7.511 -4.630 1.903 1.00 0.00 C ATOM 1220 C PHE A 76 -8.182 -3.885 0.747 1.00 0.00 C ATOM 1221 O PHE A 76 -9.360 -3.591 0.784 1.00 0.00 O ATOM 1222 CB PHE A 76 -8.132 -6.021 2.042 1.00 0.00 C ATOM 1223 CG PHE A 76 -7.154 -7.059 1.546 1.00 0.00 C ATOM 1224 CD1 PHE A 76 -6.397 -6.809 0.395 1.00 0.00 C ATOM 1225 CD2 PHE A 76 -7.006 -8.270 2.233 1.00 0.00 C ATOM 1226 CE1 PHE A 76 -5.490 -7.771 -0.068 1.00 0.00 C ATOM 1227 CE2 PHE A 76 -6.098 -9.231 1.770 1.00 0.00 C ATOM 1228 CZ PHE A 76 -5.341 -8.981 0.620 1.00 0.00 C ATOM 0 HA PHE A 76 -6.444 -4.730 1.703 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -8.388 -6.215 3.084 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -9.059 -6.076 1.471 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -6.512 -5.875 -0.135 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -7.592 -8.463 3.120 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -4.906 -7.579 -0.956 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -5.982 -10.165 2.300 1.00 0.00 H new ATOM 0 HZ PHE A 76 -4.641 -9.722 0.263 1.00 0.00 H new ATOM 1238 N TRP A 77 -7.438 -3.576 -0.277 1.00 0.00 N ATOM 1239 CA TRP A 77 -8.023 -2.846 -1.437 1.00 0.00 C ATOM 1240 C TRP A 77 -7.693 -3.615 -2.725 1.00 0.00 C ATOM 1241 O TRP A 77 -6.943 -4.569 -2.705 1.00 0.00 O ATOM 1242 CB TRP A 77 -7.413 -1.443 -1.501 1.00 0.00 C ATOM 1243 CG TRP A 77 -6.007 -1.547 -1.980 1.00 0.00 C ATOM 1244 CD1 TRP A 77 -4.933 -1.833 -1.209 1.00 0.00 C ATOM 1245 CD2 TRP A 77 -5.513 -1.387 -3.334 1.00 0.00 C ATOM 1246 NE1 TRP A 77 -3.806 -1.858 -2.010 1.00 0.00 N ATOM 1247 CE2 TRP A 77 -4.114 -1.587 -3.330 1.00 0.00 C ATOM 1248 CE3 TRP A 77 -6.142 -1.089 -4.551 1.00 0.00 C ATOM 1249 CZ2 TRP A 77 -3.365 -1.496 -4.501 1.00 0.00 C ATOM 1250 CZ3 TRP A 77 -5.394 -0.992 -5.729 1.00 0.00 C ATOM 1251 CH2 TRP A 77 -4.009 -1.195 -5.706 1.00 0.00 C ATOM 0 H TRP A 77 -6.446 -3.798 -0.362 1.00 0.00 H new ATOM 0 HA TRP A 77 -9.105 -2.766 -1.327 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -7.994 -0.810 -2.172 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -7.442 -0.975 -0.517 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -4.952 -2.012 -0.144 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -2.864 -2.052 -1.669 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -7.210 -0.933 -4.579 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -2.297 -1.656 -4.479 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -5.887 -0.759 -6.661 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -3.437 -1.119 -6.619 1.00 0.00 H new ATOM 1262 N ARG A 78 -8.235 -3.210 -3.844 1.00 0.00 N ATOM 1263 CA ARG A 78 -7.924 -3.935 -5.112 1.00 0.00 C ATOM 1264 C ARG A 78 -8.236 -3.057 -6.326 1.00 0.00 C ATOM 1265 O ARG A 78 -8.784 -1.979 -6.208 1.00 0.00 O ATOM 1266 CB ARG A 78 -8.758 -5.213 -5.191 1.00 0.00 C ATOM 1267 CG ARG A 78 -10.244 -4.860 -5.122 1.00 0.00 C ATOM 1268 CD ARG A 78 -11.070 -6.028 -5.665 1.00 0.00 C ATOM 1269 NE ARG A 78 -11.121 -7.114 -4.645 1.00 0.00 N ATOM 1270 CZ ARG A 78 -11.757 -8.224 -4.904 1.00 0.00 C ATOM 1271 NH1 ARG A 78 -11.325 -9.021 -5.843 1.00 0.00 N ATOM 1272 NH2 ARG A 78 -12.826 -8.538 -4.224 1.00 0.00 N ATOM 0 H ARG A 78 -8.872 -2.419 -3.935 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.862 -4.182 -5.117 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -8.542 -5.743 -6.119 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.494 -5.883 -4.372 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.531 -4.645 -4.092 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.442 -3.959 -5.703 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -12.079 -5.693 -5.907 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.628 -6.402 -6.589 1.00 0.00 H new ATOM 0 HE ARG A 78 -10.659 -6.990 -3.744 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.490 -8.777 -6.375 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -11.823 -9.888 -6.045 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -13.165 -7.916 -3.490 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.323 -9.405 -4.427 1.00 0.00 H new ATOM 1286 N ILE A 79 -7.885 -3.523 -7.494 1.00 0.00 N ATOM 1287 CA ILE A 79 -8.152 -2.736 -8.738 1.00 0.00 C ATOM 1288 C ILE A 79 -9.346 -3.346 -9.475 1.00 0.00 C ATOM 1289 O ILE A 79 -9.589 -4.534 -9.402 1.00 0.00 O ATOM 1290 CB ILE A 79 -6.899 -2.760 -9.629 1.00 0.00 C ATOM 1291 CG1 ILE A 79 -6.910 -4.001 -10.546 1.00 0.00 C ATOM 1292 CG2 ILE A 79 -5.679 -2.809 -8.726 1.00 0.00 C ATOM 1293 CD1 ILE A 79 -5.475 -4.410 -10.911 1.00 0.00 C ATOM 0 H ILE A 79 -7.422 -4.420 -7.643 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.386 -1.702 -8.485 1.00 0.00 H new ATOM 0 HB ILE A 79 -6.879 -1.870 -10.258 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.414 -4.827 -10.044 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.475 -3.786 -11.453 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -4.776 -2.827 -9.336 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -5.666 -1.928 -8.084 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.718 -3.707 -8.110 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.500 -5.287 -11.558 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.984 -3.588 -11.432 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.921 -4.646 -10.002 1.00 0.00 H new ATOM 1305 N ASP A 80 -10.090 -2.549 -10.188 1.00 0.00 N ATOM 1306 CA ASP A 80 -11.257 -3.103 -10.925 1.00 0.00 C ATOM 1307 C ASP A 80 -10.757 -4.174 -11.899 1.00 0.00 C ATOM 1308 O ASP A 80 -9.680 -4.055 -12.446 1.00 0.00 O ATOM 1309 CB ASP A 80 -11.961 -1.987 -11.701 1.00 0.00 C ATOM 1310 CG ASP A 80 -10.925 -0.990 -12.223 1.00 0.00 C ATOM 1311 OD1 ASP A 80 -9.759 -1.346 -12.267 1.00 0.00 O ATOM 1312 OD2 ASP A 80 -11.317 0.110 -12.573 1.00 0.00 O ATOM 0 H ASP A 80 -9.942 -1.545 -10.292 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.965 -3.540 -10.221 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -12.525 -2.409 -12.533 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -12.677 -1.478 -11.056 1.00 0.00 H new ATOM 1317 N PRO A 81 -11.550 -5.201 -12.068 1.00 0.00 N ATOM 1318 CA PRO A 81 -11.208 -6.331 -12.950 1.00 0.00 C ATOM 1319 C PRO A 81 -11.450 -5.975 -14.420 1.00 0.00 C ATOM 1320 O PRO A 81 -10.943 -6.624 -15.313 1.00 0.00 O ATOM 1321 CB PRO A 81 -12.161 -7.440 -12.494 1.00 0.00 C ATOM 1322 CG PRO A 81 -13.349 -6.737 -11.793 1.00 0.00 C ATOM 1323 CD PRO A 81 -12.861 -5.330 -11.398 1.00 0.00 C ATOM 0 HA PRO A 81 -10.158 -6.616 -12.884 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -12.505 -8.029 -13.344 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -11.659 -8.127 -11.812 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -14.210 -6.675 -12.459 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -13.666 -7.298 -10.914 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.556 -4.559 -11.731 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -12.767 -5.230 -10.317 1.00 0.00 H new ATOM 1331 N ALA A 82 -12.221 -4.957 -14.682 1.00 0.00 N ATOM 1332 CA ALA A 82 -12.489 -4.583 -16.101 1.00 0.00 C ATOM 1333 C ALA A 82 -11.454 -3.565 -16.579 1.00 0.00 C ATOM 1334 O ALA A 82 -11.237 -3.406 -17.764 1.00 0.00 O ATOM 1335 CB ALA A 82 -13.893 -3.987 -16.217 1.00 0.00 C ATOM 0 H ALA A 82 -12.675 -4.371 -13.982 1.00 0.00 H new ATOM 0 HA ALA A 82 -12.421 -5.475 -16.724 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -14.088 -3.714 -17.254 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -14.629 -4.722 -15.891 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -13.964 -3.099 -15.589 1.00 0.00 H new ATOM 1341 N SER A 83 -10.797 -2.889 -15.680 1.00 0.00 N ATOM 1342 CA SER A 83 -9.770 -1.908 -16.110 1.00 0.00 C ATOM 1343 C SER A 83 -8.394 -2.512 -15.850 1.00 0.00 C ATOM 1344 O SER A 83 -7.380 -1.932 -16.174 1.00 0.00 O ATOM 1345 CB SER A 83 -9.928 -0.606 -15.324 1.00 0.00 C ATOM 1346 OG SER A 83 -10.479 0.390 -16.173 1.00 0.00 O ATOM 0 H SER A 83 -10.927 -2.974 -14.672 1.00 0.00 H new ATOM 0 HA SER A 83 -9.886 -1.684 -17.170 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.576 -0.764 -14.462 1.00 0.00 H new ATOM 0 HB3 SER A 83 -8.961 -0.279 -14.941 1.00 0.00 H new ATOM 0 HG SER A 83 -10.583 1.226 -15.672 1.00 0.00 H new ATOM 1352 N GLU A 84 -8.357 -3.687 -15.269 1.00 0.00 N ATOM 1353 CA GLU A 84 -7.053 -4.337 -14.986 1.00 0.00 C ATOM 1354 C GLU A 84 -6.291 -4.518 -16.291 1.00 0.00 C ATOM 1355 O GLU A 84 -5.160 -4.098 -16.416 1.00 0.00 O ATOM 1356 CB GLU A 84 -7.291 -5.704 -14.340 1.00 0.00 C ATOM 1357 CG GLU A 84 -5.948 -6.399 -14.110 1.00 0.00 C ATOM 1358 CD GLU A 84 -5.820 -7.593 -15.058 1.00 0.00 C ATOM 1359 OE1 GLU A 84 -6.665 -8.471 -14.991 1.00 0.00 O ATOM 1360 OE2 GLU A 84 -4.879 -7.610 -15.834 1.00 0.00 O ATOM 0 H GLU A 84 -9.178 -4.219 -14.981 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.473 -3.713 -14.306 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.818 -5.584 -13.393 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -7.924 -6.316 -14.982 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.131 -5.698 -14.279 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.872 -6.733 -13.075 1.00 0.00 H new ATOM 1367 N ALA A 85 -6.896 -5.126 -17.275 1.00 0.00 N ATOM 1368 CA ALA A 85 -6.178 -5.304 -18.568 1.00 0.00 C ATOM 1369 C ALA A 85 -5.823 -3.924 -19.120 1.00 0.00 C ATOM 1370 O ALA A 85 -4.989 -3.787 -19.993 1.00 0.00 O ATOM 1371 CB ALA A 85 -7.076 -6.042 -19.564 1.00 0.00 C ATOM 0 H ALA A 85 -7.843 -5.502 -17.241 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.272 -5.890 -18.412 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.545 -6.169 -20.508 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.339 -7.020 -19.161 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.984 -5.463 -19.734 1.00 0.00 H new ATOM 1377 N LYS A 86 -6.447 -2.899 -18.609 1.00 0.00 N ATOM 1378 CA LYS A 86 -6.146 -1.525 -19.091 1.00 0.00 C ATOM 1379 C LYS A 86 -5.046 -0.916 -18.221 1.00 0.00 C ATOM 1380 O LYS A 86 -3.998 -0.538 -18.706 1.00 0.00 O ATOM 1381 CB LYS A 86 -7.406 -0.661 -19.000 1.00 0.00 C ATOM 1382 CG LYS A 86 -7.403 0.366 -20.133 1.00 0.00 C ATOM 1383 CD LYS A 86 -7.450 1.777 -19.544 1.00 0.00 C ATOM 1384 CE LYS A 86 -6.025 2.304 -19.369 1.00 0.00 C ATOM 1385 NZ LYS A 86 -5.302 2.226 -20.671 1.00 0.00 N ATOM 0 H LYS A 86 -7.154 -2.956 -17.876 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.813 -1.567 -20.128 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.295 -1.288 -19.066 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.444 -0.154 -18.036 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -6.509 0.246 -20.745 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -8.260 0.205 -20.786 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.016 2.438 -20.201 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -7.965 1.765 -18.584 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.048 3.335 -19.015 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -5.500 1.719 -18.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.654 3.035 -20.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.758 1.340 -20.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -5.989 2.249 -21.451 1.00 0.00 H new ATOM 1399 N LEU A 87 -5.271 -0.817 -16.937 1.00 0.00 N ATOM 1400 CA LEU A 87 -4.224 -0.227 -16.053 1.00 0.00 C ATOM 1401 C LEU A 87 -2.901 -0.923 -16.303 1.00 0.00 C ATOM 1402 O LEU A 87 -1.913 -0.308 -16.651 1.00 0.00 O ATOM 1403 CB LEU A 87 -4.592 -0.392 -14.571 1.00 0.00 C ATOM 1404 CG LEU A 87 -5.414 -1.666 -14.341 1.00 0.00 C ATOM 1405 CD1 LEU A 87 -4.713 -2.558 -13.326 1.00 0.00 C ATOM 1406 CD2 LEU A 87 -6.782 -1.295 -13.774 1.00 0.00 C ATOM 0 H LEU A 87 -6.125 -1.116 -16.466 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.148 0.836 -16.282 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.683 -0.429 -13.970 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -5.160 0.476 -14.236 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.521 -2.188 -15.292 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.302 -3.461 -13.167 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.726 -2.830 -13.701 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.608 -2.023 -12.382 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.366 -2.201 -13.611 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.653 -0.771 -12.827 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.305 -0.648 -14.479 1.00 0.00 H new ATOM 1418 N VAL A 88 -2.877 -2.201 -16.117 1.00 0.00 N ATOM 1419 CA VAL A 88 -1.629 -2.964 -16.327 1.00 0.00 C ATOM 1420 C VAL A 88 -0.908 -2.469 -17.579 1.00 0.00 C ATOM 1421 O VAL A 88 0.306 -2.447 -17.637 1.00 0.00 O ATOM 1422 CB VAL A 88 -1.987 -4.413 -16.523 1.00 0.00 C ATOM 1423 CG1 VAL A 88 -2.604 -4.978 -15.240 1.00 0.00 C ATOM 1424 CG2 VAL A 88 -2.989 -4.514 -17.672 1.00 0.00 C ATOM 0 H VAL A 88 -3.679 -2.759 -15.824 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.977 -2.833 -15.463 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.092 -4.988 -16.758 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.860 -6.027 -15.391 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.887 -4.893 -14.423 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.505 -4.417 -14.992 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.260 -5.558 -17.828 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.883 -3.940 -17.427 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.540 -4.116 -18.582 1.00 0.00 H new ATOM 1434 N GLU A 89 -1.636 -2.076 -18.585 1.00 0.00 N ATOM 1435 CA GLU A 89 -0.970 -1.591 -19.825 1.00 0.00 C ATOM 1436 C GLU A 89 -0.001 -0.471 -19.449 1.00 0.00 C ATOM 1437 O GLU A 89 1.066 -0.345 -20.014 1.00 0.00 O ATOM 1438 CB GLU A 89 -2.020 -1.059 -20.804 1.00 0.00 C ATOM 1439 CG GLU A 89 -1.637 -1.458 -22.232 1.00 0.00 C ATOM 1440 CD GLU A 89 -2.859 -1.340 -23.145 1.00 0.00 C ATOM 1441 OE1 GLU A 89 -3.836 -0.746 -22.719 1.00 0.00 O ATOM 1442 OE2 GLU A 89 -2.798 -1.844 -24.254 1.00 0.00 O ATOM 0 H GLU A 89 -2.656 -2.069 -18.604 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.429 -2.409 -20.301 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -3.002 -1.461 -20.554 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.090 0.026 -20.725 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -0.835 -0.816 -22.597 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.258 -2.480 -22.245 1.00 0.00 H new ATOM 1449 N GLN A 90 -0.356 0.330 -18.483 1.00 0.00 N ATOM 1450 CA GLN A 90 0.556 1.426 -18.052 1.00 0.00 C ATOM 1451 C GLN A 90 1.470 0.912 -16.935 1.00 0.00 C ATOM 1452 O GLN A 90 2.341 1.612 -16.459 1.00 0.00 O ATOM 1453 CB GLN A 90 -0.273 2.606 -17.539 1.00 0.00 C ATOM 1454 CG GLN A 90 -0.860 3.368 -18.728 1.00 0.00 C ATOM 1455 CD GLN A 90 0.150 4.408 -19.217 1.00 0.00 C ATOM 1456 OE1 GLN A 90 0.546 5.284 -18.475 1.00 0.00 O ATOM 1457 NE2 GLN A 90 0.588 4.347 -20.446 1.00 0.00 N ATOM 0 H GLN A 90 -1.238 0.273 -17.974 1.00 0.00 H new ATOM 0 HA GLN A 90 1.163 1.753 -18.896 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -1.073 2.248 -16.891 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.350 3.269 -16.939 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -1.103 2.675 -19.533 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -1.790 3.857 -18.437 1.00 0.00 H new ATOM 0 HE21 GLN A 90 0.256 3.612 -21.070 1.00 0.00 H new ATOM 0 HE22 GLN A 90 1.262 5.035 -20.782 1.00 0.00 H new ATOM 1466 N ALA A 91 1.275 -0.312 -16.514 1.00 0.00 N ATOM 1467 CA ALA A 91 2.125 -0.878 -15.428 1.00 0.00 C ATOM 1468 C ALA A 91 3.508 -1.227 -15.982 1.00 0.00 C ATOM 1469 O ALA A 91 4.504 -0.641 -15.606 1.00 0.00 O ATOM 1470 CB ALA A 91 1.473 -2.139 -14.865 1.00 0.00 C ATOM 0 H ALA A 91 0.561 -0.944 -16.878 1.00 0.00 H new ATOM 0 HA ALA A 91 2.228 -0.137 -14.635 1.00 0.00 H new ATOM 0 HB1 ALA A 91 2.098 -2.549 -14.072 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.491 -1.892 -14.462 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.364 -2.878 -15.659 1.00 0.00 H new ATOM 1476 N PHE A 92 3.577 -2.181 -16.871 1.00 0.00 N ATOM 1477 CA PHE A 92 4.896 -2.573 -17.446 1.00 0.00 C ATOM 1478 C PHE A 92 5.399 -1.469 -18.380 1.00 0.00 C ATOM 1479 O PHE A 92 6.583 -1.335 -18.610 1.00 0.00 O ATOM 1480 CB PHE A 92 4.747 -3.872 -18.237 1.00 0.00 C ATOM 1481 CG PHE A 92 3.723 -4.762 -17.574 1.00 0.00 C ATOM 1482 CD1 PHE A 92 3.909 -5.184 -16.251 1.00 0.00 C ATOM 1483 CD2 PHE A 92 2.586 -5.170 -18.284 1.00 0.00 C ATOM 1484 CE1 PHE A 92 2.960 -6.013 -15.640 1.00 0.00 C ATOM 1485 CE2 PHE A 92 1.637 -5.997 -17.672 1.00 0.00 C ATOM 1486 CZ PHE A 92 1.824 -6.419 -16.351 1.00 0.00 C ATOM 0 H PHE A 92 2.777 -2.706 -17.224 1.00 0.00 H new ATOM 0 HA PHE A 92 5.610 -2.719 -16.635 1.00 0.00 H new ATOM 0 HB2 PHE A 92 4.443 -3.652 -19.260 1.00 0.00 H new ATOM 0 HB3 PHE A 92 5.707 -4.386 -18.293 1.00 0.00 H new ATOM 0 HD1 PHE A 92 4.785 -4.870 -15.702 1.00 0.00 H new ATOM 0 HD2 PHE A 92 2.442 -4.846 -19.304 1.00 0.00 H new ATOM 0 HE1 PHE A 92 3.104 -6.339 -14.621 1.00 0.00 H new ATOM 0 HE2 PHE A 92 0.760 -6.310 -18.220 1.00 0.00 H new ATOM 0 HZ PHE A 92 1.092 -7.058 -15.880 1.00 0.00 H new ATOM 1496 N ARG A 93 4.511 -0.682 -18.923 1.00 0.00 N ATOM 1497 CA ARG A 93 4.949 0.406 -19.842 1.00 0.00 C ATOM 1498 C ARG A 93 5.746 1.445 -19.051 1.00 0.00 C ATOM 1499 O ARG A 93 5.236 2.074 -18.146 1.00 0.00 O ATOM 1500 CB ARG A 93 3.726 1.072 -20.477 1.00 0.00 C ATOM 1501 CG ARG A 93 3.321 0.297 -21.731 1.00 0.00 C ATOM 1502 CD ARG A 93 3.571 1.158 -22.970 1.00 0.00 C ATOM 1503 NE ARG A 93 2.362 1.131 -23.841 1.00 0.00 N ATOM 1504 CZ ARG A 93 2.420 1.609 -25.054 1.00 0.00 C ATOM 1505 NH1 ARG A 93 2.837 0.855 -26.034 1.00 0.00 N ATOM 1506 NH2 ARG A 93 2.058 2.841 -25.286 1.00 0.00 N ATOM 0 H ARG A 93 3.504 -0.745 -18.771 1.00 0.00 H new ATOM 0 HA ARG A 93 5.575 -0.014 -20.629 1.00 0.00 H new ATOM 0 HB2 ARG A 93 2.900 1.094 -19.766 1.00 0.00 H new ATOM 0 HB3 ARG A 93 3.953 2.107 -20.733 1.00 0.00 H new ATOM 0 HG2 ARG A 93 3.892 -0.629 -21.798 1.00 0.00 H new ATOM 0 HG3 ARG A 93 2.268 0.020 -21.675 1.00 0.00 H new ATOM 0 HD2 ARG A 93 3.798 2.183 -22.675 1.00 0.00 H new ATOM 0 HD3 ARG A 93 4.436 0.785 -23.518 1.00 0.00 H new ATOM 0 HE ARG A 93 1.489 0.739 -23.489 1.00 0.00 H new ATOM 0 HH11 ARG A 93 3.118 -0.109 -25.852 1.00 0.00 H new ATOM 0 HH12 ARG A 93 2.882 1.229 -26.982 1.00 0.00 H new ATOM 0 HH21 ARG A 93 1.730 3.429 -24.520 1.00 0.00 H new ATOM 0 HH22 ARG A 93 2.103 3.216 -26.234 1.00 0.00 H new